UCSF

ZINC22843806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 2.9 -11.94 2 6 0 65 366.893 7
Lo Low (pH 4.5-6) 2.17 5.1 -39.75 3 6 1 66 367.901 7
Lo Low (pH 4.5-6) 2.17 5.1 -40.67 3 6 1 66 367.901 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )